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Pimelic acid, di(2-propylphenyl) ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, di(2-propylphenyl) ester
SpectraBase Compound ID 9Pmb3g3pvWe
InChI InChI=1S/C25H32O4/c1-3-12-20-14-8-10-16-22(20)28-24(26)18-6-5-7-19-25(27)29-23-17-11-9-15-21(23)13-4-2/h8-11,14-17H,3-7,12-13,18-19H2,1-2H3
InChIKey QPEWPUVLNQICSM-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45fN5L9rWDb
Name Pimelic acid, di(2-propylphenyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-3-12-20-14-8-10-16-22(20)28-24(26)18-6-5-7-19-25(27)29-23-17-11-9-15-21(23)13-4-2/h8-11,14-17H,3-7,12-13,18-19H2,1-2H3
InChIKey QPEWPUVLNQICSM-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCCCCC(Oc1c(cccc1)CCC)=O)(Oc1c(cccc1)CCC)=O
SPLASH splash10-06tu-7920000000-5453db5f7c2986eb17f5
Source of Spectrum TIPS-2022-421-0
Wiley ID 1821938